2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine

C33H23N3S2 — CID 146610262

IUPAC2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1sc2ccccc2c1-c1sc2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc2c1C
InChIInChI=1S/C33H23N3S2/c1-20-24-17-11-18-26(30(24)38-29(20)28-21(2)37-27-19-10-9-16-25(27)28)33-35-31(22-12-5-3-6-13-22)34-32(36-33)23-14-7-4-8-15-23/h3-19H,1-2H3
InChIKeyUYPJVWUVKATSGP-UHFFFAOYSA-N
MW525.70 g/mol
LogP9.59
Rot. Bonds4

About 2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine

2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 146610262) has the molecular formula C33H23N3S2 and a molecular weight of 525.70 g/mol. Its IUPAC name is 2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID146610262
Molecular FormulaC33H23N3S2
Molecular Weight525.70 g/mol
Exact Mass525.13
IUPAC Name2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1sc2ccccc2c1-c1sc2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc2c1C
InChIInChI=1S/C33H23N3S2/c1-20-24-17-11-18-26(30(24)38-29(20)28-21(2)37-27-19-10-9-16-25(27)28)33-35-31(22-12-5-3-6-13-22)34-32(36-33)23-14-7-4-8-15-23/h3-19H,1-2H3
InChIKeyUYPJVWUVKATSGP-UHFFFAOYSA-N
XLogP9.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.70
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 118539812
2-dibenzothiophen-4-yl-4-ethyl-6-phenyl-1,3,5-triazine
CID 146367883
2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953027
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine
CID 139441835
2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 146183517
2-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 164737126
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
2-naphtho[1,2-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 146658673
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 155763933
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 139442256
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155763972

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine (CID 146610262) is 2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine is Cc1sc2ccccc2c1-c1sc2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc2c1C.
What is the InChIKey of 2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is UYPJVWUVKATSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3S2/c1-20-24-17-11-18-26(30(24)38-29(20)28-21(2)37-27-19-10-9-16-25(27)28)33-35-31(22-12-5-3-6-13-22)34-32(36-33)23-14-7-4-8-15-23/h3-19H,1-2H3.
What are the key properties of 2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine?
2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 525.70 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146610262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).